library(mdatools)
library(kableExtra)
library(tidyverse)


The dataset


This dataset is the result of an analysis carried out with an electronic tongue on 72 samples of wine of 6 different types (Pigani et al. 2008)

We have 72 obervations and 1950 variables


df = read.csv('dpv_lingua_vini_bianchi_cleaned.csv', check.names = F) 

kable(df[1:20, 1:100], row.names = T) %>% kable_styling('striped', fixed_thead = T, full_width = FALSE) %>%
  scroll_box( height = "500px")
Type Include Original.Order Type.1 TR.TS 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94
1 1 Chardonnay Francia 1 1 Chardonnay Francia TR 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06
2 2 Chardonnay Francia 1 2 Chardonnay Francia TR 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06
3 3 Chardonnay Francia 0 3 Chardonnay Francia TS 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06
4 4 Chardonnay Francia 1 4 Chardonnay Francia TR 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06
5 5 Chardonnay Francia 0 5 Chardonnay Francia TR 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06
6 6 Chardonnay Francia 0 6 Chardonnay Francia TS 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06
7 7 Chardonnay Francia 1 7 Chardonnay Francia TR 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 8.0e-07 7.0e-07 7.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06
8 8 Chardonnay Francia 1 8 Chardonnay Francia TR 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07
9 9 Chardonnay Francia 1 9 Chardonnay Francia TS 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07
10 10 Chardonnay Francia 1 10 Chardonnay Francia TR 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07
11 11 Chardonnay Francia 1 11 Chardonnay Francia TR 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06
12 12 Chardonnay Francia 1 12 Chardonnay Francia TS 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 5.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 7.0e-07 6.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07
13 13 Chardonnay Veneto 1 13 Chardonnay Veneto TR 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.2e-06 1.2e-06 1.2e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06
14 14 Chardonnay Veneto 1 14 Chardonnay Veneto TR 1.3e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.4e-06 1.4e-06 1.4e-06 1.4e-06 1.4e-06 1.4e-06 1.4e-06 1.4e-06 1.5e-06 1.5e-06 1.5e-06 1.5e-06 1.6e-06 1.6e-06 1.6e-06 1.6e-06 1.6e-06 1.6e-06 1.6e-06 1.6e-06 1.5e-06 1.5e-06 1.5e-06 1.5e-06 1.5e-06 1.5e-06 1.4e-06 1.5e-06 1.5e-06 1.5e-06 1.5e-06 1.5e-06
15 15 Chardonnay Veneto 1 15 Chardonnay Veneto TS 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.3e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06
16 16 Chardonnay Veneto 1 16 Chardonnay Veneto TR 8.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07
17 17 Chardonnay Veneto 1 17 Chardonnay Veneto TR 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06
18 18 Chardonnay Veneto 1 18 Chardonnay Veneto TS 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06
19 19 Chardonnay Veneto 1 19 Chardonnay Veneto TR 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.2e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06 1.1e-06
20 20 Chardonnay Veneto 1 20 Chardonnay Veneto TR 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 6.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 7.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 8.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 9.0e-07 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06 1.0e-06


df1 = df[-c(1,3,4,5,6)]

attr(df1, "xaxis.name") = "Variables"
attr(df1, "xaxis.values") = colnames(df1) %>% as.numeric()

mdaplot(df1[-1], type = 'l', main = 'Raw data', cgroup = as.factor(df1$Type))


Savitzky-Golay derivative filter


dfderiv = prep.savgol(df1[-1], width = 15, porder = 2, dorder = 1)


mdaplot(dfderiv, type = 'l', cgroup = factor(df1$Type), main = 'Derivative (order: 2)')


Mean centering


Before performing PCA you need to mean center the dataset after derivative preprocessing.


\[ x_{ij}\ast = x_{ij} - \overline{x}_j \]


dfmean = scale(dfderiv, scale = F) %>% as.data.frame()


#attr(dfmean, "xaxis.name") = "Wavelength, nm"
#attr(dfmean, "xaxis.values") = colnames(df[-1]) %>% as.numeric()


mdaplot(dfmean, type = 'l', cgroup = factor(df1[,1]), main = 'Derivative + mean centering')



PCA


par(mfrow = c(1,1))
X = dfmean
attr(X, "xaxis.name") = "Variables"
attr(X, "xaxis.values") = colnames(df1[-1]) %>% as.numeric()

pc = pca(X, scale = F)

plotVariance(pc, type = 'b')


We choose to keep the first two principal components


Score plots


plotScores(pc, cgroup = factor(df1[,1]), cex = 1)



Loading plots


plotLoadings(pc, show.labels = T)


par(mfrow = c(1,1))
plotLoadings(pc, c(1,2), show.labels = F, type = 'l', legend.position = 'topleft')

plotScores(pc, cgroup = factor(df1[,1]), cex = 1)



References


Pigani, L., G. Foca, K. Ionescu, V. Martina, A. Ulrici, F. Terzi, M. Vignali, C. Zanardi, and R. Seeber. 2008. “Amperometric Sensors Based on Poly(3,4-Ethylenedioxythiophene)-Modified Electrodes: Discrimination of White Wines.” Analytica Chimica Acta 614 (2): 213–22. https://doi.org/10.1016/j.aca.2008.03.029.



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